BDBM81301 Azole, 6

SMILES: O=C(NCC(c1ccccc1)n1ccnc1)c1cccc2c3ccccc3oc12

InChI Key: InChIKey=BZKRWSFLZVRYME-UHFFFAOYSA-N

Data: 2 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 81301   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sterol 14-alpha demethylase (CYP51) (Trypanosoma brucei)	BDBM81301 (Azole, 6) Show SMILES O=C(NCC(c1ccccc1)n1ccnc1)c1cccc2c3ccccc3oc12 Show InChI InChI=1S/C24H19N3O2/c28-24(20-11-6-10-19-18-9-4-5-12-22(18)29-23(19)20)26-15-21(27-14-13-25-16-27)17-7-2-1-3-8-17/h1-14,16,21H,15H2,(H,26,28)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	210	n/a	n/a	n/a	6.0	n/a
Vanderbilt University					Assay Description Azole derivatives used as an inhibitor of TB and TC CYP51.				Chem Biol 14: 1283-93 (2007) Article DOI: 10.1016/j.chembiol.2007.10.011 BindingDB Entry DOI: 10.7270/Q22J69B7
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (CYP51) (Trypanosoma cruzi)	BDBM81301 (Azole, 6) Show SMILES O=C(NCC(c1ccccc1)n1ccnc1)c1cccc2c3ccccc3oc12 Show InChI InChI=1S/C24H19N3O2/c28-24(20-11-6-10-19-18-9-4-5-12-22(18)29-23(19)20)26-15-21(27-14-13-25-16-27)17-7-2-1-3-8-17/h1-14,16,21H,15H2,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	130	n/a	n/a	n/a	6.0	n/a
Vanderbilt University					Assay Description Azole derivatives used as an inhibitor of TB and TC CYP51.				Chem Biol 14: 1283-93 (2007) Article DOI: 10.1016/j.chembiol.2007.10.011 BindingDB Entry DOI: 10.7270/Q22J69B7
					More data for this Ligand-Target Pair